methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(phenylmethoxycarbonylaminomethyl)benzoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(phenylmethoxycarbonylaminomethyl)benzoate Openeye Name: methanesulfonate; 2-naphthyl 4-(benzyloxycarbonylaminomethyl)-2-carbamimidoyl-benzoate CAS Name: 2-carbamimidoyl-4-(phenylmethoxycarbonylaminomethyl)benzoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(phenylmethoxycarbonylaminomethyl)benzoate Traditional Name: 2-amidino-4-(benzyloxycarbonylaminomethyl)benzoic acid 2-naphthyl ester mesylate Formula: C28H26N3O7S- MolecularWeight: 548.58694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCC2=CC(=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)NCC2=CC(=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)C(=N)N

InChI

InChI=1S/C27H23N3O4.CH4O3S/c28-25(29)24-14-19(16-30-27(32)33-17-18-6-2-1-3-7-18)10-13-23(24)26(31)34-22-12-11-20-8-4-5-9-21(20)15-22;1-5(2,3)4/h1-15H,16-17H2,(H3,28,29)(H,30,32);1H3,(H,2,3,4)/p-1